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CAS Number: 38205-66-2
1-(thiazol-4-yl)ethanone

Structure

1-(thiazol-4-yl)ethanone
Name: 1-(thiazol-4-yl)ethanone
Synonyms:
General Information
Product Number: 38205662
CAS Registry Number: 38205-66-2
Name:
        Ethanone, 1-​(4-​thiazolyl)​-
        1-​(Thiazol-​4-​yl)​ethanone; 4-​Acetylthiazole; Ketone, methyl 4-​thiazolyl; Methyl 4-​thiazolyl ketone 
 
Chemical Formula: C5H5NOS
Exact Mass: 127.01
Molecular Weight: 127.16
m/z: 127.01 (100.0%), 128.01 (6.6%), 129.00 (4.5%)
Elemental Analysis: C, 47.23; H, 3.96; N, 11.01; O, 12.58; S, 25.22
 
InChI: InChI=1S/C5H5NOS/c1-4(7)5-2-8-3-6-5/h2-3H,1H3
InChIKey: SUCLFBXGJZQZEH-UHFFFAOYSA-N
Canonical SMILES : CC(=O)C1=CSC=N1
 
Thermal Properties Value Condition Note
Melting Point 56 °C Solv: hexane (110-54-3) (2)IC
Melting Point 56 °C Solv: hexane (110-54-3) (3)IC
Melting Point 56 °C Solv: hexane (110-54-3) (4)IC
Melting Point 56 °C Solv: ligroine (8032-32-4) (5)CAS
Melting Point 55-57 °C   (1)CAS

Specification

98%

References
  1. (1) Genna, Douglas T.; Organic Letters 2011, V13(19), P5358-5361 CAPLUS
  2. (2) Sarodnick, Gerhard; Wissenschaftliche Zeitschrift der Paedagogischen Hochschule Karl Liebknecht Potsdam 1977, V21(1), P19-27 CAPLUS
  3. (3) Sarodnick, Gerhard; Zeitschrift fuer Chemie 1979, V19(1), P21-2 CAPLUS
  4. (4) Sarodnick, G.; Pharmazie 1983, V38(12), P829-32 CAPLUS
  5. (5) Erlenmeyer, H.; Helvetica Chimica Acta 1940, V23, P197-206 CAPLUS
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